N-(4-acetamido-3-chloranyl-phenyl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(4-acetamido-3-chlorophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-14(27)23-19-8-7-16(13-17(19)22)24-20(28)9-10-21(29)26-12-11-18(25-26)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,23,27)(H,24,28)